739715

Glycochenodeoxycholic-2,2,4,4-d₄ acid

98 atom % D, 98% (CP)

• Synonym(s): 3α,7α-Dihydroxy-5β-cholanoic-2,2,4,4-d₄ acid N-(carboxymethyl)amide, N-(3α,7α-Dihydroxy-24-oxocholan-24-yl)glycine-2,2,4,4-d₄, Chenodeoxycholylglycine-2,2,4,4-d₄, Chenodeoxyglycocholic-2,2,4,4-d₄ acid
• Empirical Formula (Hill Notation): C₂₆D₄H₃₉NO₅
• CAS Number: 1201918-16-2
• Molecular Weight: 453.65
• MDL number: MFCD03425572
• UNSPSC Code: 12352106
• PubChem Substance ID: 329765375

Properties

• isotopic purity: 98 atom % D
• Assay: 98% (CP)
• form: liquid
• mass shift: M+4
• SMILES string: [H][C@@]12[C@]([C@](CC([C@H]3O)([2H])[2H])(C)[C@@](C[C@H]2O)([H])C3([2H])[2H])([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O
• InChI: 1S/C25H41NO6/c1-24-9-7-15(27)11-14(24)12-20(29)23-17-4-3-16(25(17,2)10-8-18(23)24)19(28)5-6-21(30)26-13-22(31)32/h14-20,23,27-29H,3-13H2,1-2H3,(H,26,30)(H,31,32)/t14-,15+,16+,17-,18-,19+,20+,23-,24-,25+/m0/s1/i7D2,11D2
• InChI key: XILGPPBPXPUXQG-LXAYGWTLSA-N

Description

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable